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N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-thiazole-4-carboxamide

N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-thiazole-4-carboxamide

CAS: 913822-46-5

Formula: C29H23N7O2S2

SMILES: O=C(NC1=NC2=CC(=CC=C2N1)C(=O)C1=CC=CC=C1)C1=CSC(=N1)C1CCN(CC1)C1=C2SC=CC2=NC=N1

IUPAC: N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,3-thiazole-4-carboxamide

InChI: InChI=1S/C29H23N7O2S2/c37-24(17-4-2-1-3-5-17)19-6-7-20-22(14-19)34-29(33-20)35-27(38)23-15-40-28(32-23)18-8-11-36(12-9-18)26-25-21(10-13-39-25)30-16-31-26/h1-7,10,13-16,18H,8-9,11-12H2,(H2,33,34,35,38)

Composition: C (61.58%), H (4.10%), N (17.33%), O (5.66%), S (11.34%)

Molar Mass: 565.67

Atom Count: 63

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 565.135465357
Formal Charge 0
FSP3 0.17
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey QNZVBFMXWNWVKG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 156
Topological Polar Surface Area 116.76
Polarizability 60.22
Ring Count 7
Rotatable Bond Count 6

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